6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one

C24H30ClN5O3 — CID 156556141

IUPAC6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
SMILESCC[C@@H]1CN(c2nc(=O)n(C)c3ccc(Cl)nc23)C(C)CC1Oc1ccc(OC(C)C)cn1
InChIInChI=1S/C24H30ClN5O3/c1-6-16-13-30(23-22-18(8-9-20(25)27-22)29(5)24(31)28-23)15(4)11-19(16)33-21-10-7-17(12-26-21)32-14(2)3/h7-10,12,14-16,19H,6,11,13H2,1-5H3/t15?,16-,19?/m1/s1
InChIKeySBURCFFMCLXQQH-KOHRHEQBSA-N
MW471.99 g/mol
LogP4.24
Rot. Bonds6

About 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one

6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one (PubChem CID 156556141) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
PubChem CID156556141
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
SMILESCC[C@@H]1CN(c2nc(=O)n(C)c3ccc(Cl)nc23)C(C)CC1Oc1ccc(OC(C)C)cn1
InChIInChI=1S/C24H30ClN5O3/c1-6-16-13-30(23-22-18(8-9-20(25)27-22)29(5)24(31)28-23)15(4)11-19(16)33-21-10-7-17(12-26-21)32-14(2)3/h7-10,12,14-16,19H,6,11,13H2,1-5H3/t15?,16-,19?/m1/s1
InChIKeySBURCFFMCLXQQH-KOHRHEQBSA-N
XLogP4.24
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one?
The IUPAC name of 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one (CID 156556141) is 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one?
The canonical SMILES for 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one is CC[C@@H]1CN(c2nc(=O)n(C)c3ccc(Cl)nc23)C(C)CC1Oc1ccc(OC(C)C)cn1.
What is the InChIKey of 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one?
The InChIKey is SBURCFFMCLXQQH-KOHRHEQBSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-6-16-13-30(23-22-18(8-9-20(25)27-22)29(5)24(31)28-23)15(4)11-19(16)33-21-10-7-17(12-26-21)32-14(2)3/h7-10,12,14-16,19H,6,11,13H2,1-5H3/t15?,16-,19?/m1/s1.
What are the key properties of 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one?
6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one has a molecular weight of 471.99 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 156556141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).